SCHEMBL413368

SCHEMBL413368

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
BRAF P15056 16/20 0.60
MAP2K4 P45985 3/20 0.53
BMPR1B O00238 1/20 0.53
PLK4 O00444 1/20 0.53
PIR O00625 1/20 0.53
AURKA O14965 1/20 0.53
DCLK1 O15075 1/20 0.53
EPHB6 O15197 1/20 0.53
RIPK2 O43353 1/20 0.53
STK16 O75716 1/20 0.53
OXSR1 O95747 1/20 0.53
MAP4K4 O95819 1/20 0.53
ABL1 P00519 1/20 0.53
RAF1 P04049 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
FES P07332 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL912842 0.92 BRAF (0.56) CYP3A4CYP2C9CYP2C19BRAFMAP2K4
SCHEMBL29796692 0.92 BRAF (0.56) CYP3A4CYP2C9CYP2C19BRAFMAP2K4
SCHEMBL20399239 0.91 BRAF (0.53) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL1443283 0.90 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19BRAFMAP2K4
SCHEMBL1437566 0.90 FABP4 (0.51) CYP3A4CYP2C9CYP2C19BRAFMAP2K4
SCHEMBL20408716 0.89 BRAF (0.52) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL855654 0.89 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19BRAFMAP2K4
SCHEMBL1492058 0.87 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19BRAFMAP2K4
SCHEMBL22832136 0.87 BRAF (0.55) CYP3A4CYP2C9CYP2C19BRAFMAP2K4
SCHEMBL12468027 0.87 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19BRAFMAP2K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 276 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968803-B Method for synthesizing 2, 6-difluoro-3-propyl sulfonamide benzoic acid 苏州匠化生物科技有限公司 2023-05-09 CN claimed
CN-113968803-A Novel method for synthesizing 2, 6-difluoro-3-propyl sulfonamide benzoic acid 苏州匠化生物科技有限公司 2022-01-25 CN claimed
EP-3478684-B1 NEW PROCESSES FOR THE PREPARATION OF VEMURAFENIB FERMION OY (FI) 2020-04-15 EP claimed
US-10407427-B2 Processes for the preparation of Vemurafenib FERMION OY (FI) 2019-09-10 US claimed
US-20190194197-A1 NEW PROCESSES FOR THE PREPARATION OF VEMURAFENIB FERMION OY (FI) 2019-06-27 US claimed
US-20180334457-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2018-11-22 US claimed
US-12264158-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2025-04-01 US disclosed
CN-114026073-B Quinazolin-4-one derivatives for the treatment of BRAF related diseases and disorders ARRAY生物制药公司 2024-08-23 CN disclosed
EP-3746437-B1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2024-08-21 EP disclosed
US-20240116931-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2024-04-11 US disclosed
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-01-02 US disclosed
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-01-02 US disclosed
US-11731968-B2 Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2023-08-22 US disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009012283-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2009-01-22 WO disclosed
WO-2009012283-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2009-01-22 WO disclosed
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240116931-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH MAPK4, MAP3K4, MAP4K1 CYP3A4 971/4885CYP2C9 2756/4885CYP2C19 4255/4885
US-10407427-B2 Processes for the preparation of Vemurafenib BRAF, NRAS, PDCD1 CYP3A4 1038/4885CYP2C9 595/4885CYP2C19 610/4885
US-11731968-B2 Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP4K1, MAP4K4 CYP3A4 764/4885CYP2C9 3266/4885CYP2C19 4058/4885
US-20190194197-A1 NEW PROCESSES FOR THE PREPARATION OF VEMURAFENIB BRAF, RAF1, NRAS CYP3A4 781/4885CYP2C9 526/4885CYP2C19 599/4885
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP3K4, MAP4K1 CYP3A4 971/4885CYP2C9 2756/4885CYP2C19 4255/4885
US-12264158-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP3K4, MAP4K1 CYP3A4 971/4885CYP2C9 2756/4885CYP2C19 4255/4885
US-20180334457-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS BRAF, RAF1, NRAS CYP3A4 701/4885CYP2C9 233/4885CYP2C19 393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.